CID 132350935

2137618-41-6

Structural Information

Molecular Formula
C23H25NO4
SMILES
C1CC(CCN(C1)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)CC(=O)O
InChI
InChI=1S/C23H25NO4/c25-22(26)14-16-6-5-12-24(13-11-16)23(27)28-15-21-19-9-3-1-7-17(19)18-8-2-4-10-20(18)21/h1-4,7-10,16,21H,5-6,11-15H2,(H,25,26)
InChIKey
WXHKKBWBBDRORH-UHFFFAOYSA-N
Compound name
2-[1-(9H-fluoren-9-ylmethoxycarbonyl)azepan-4-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.17834 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.18562 190.7
[M+Na]+ 402.16756 193.9
[M-H]- 378.17106 196.8
[M+NH4]+ 397.21216 203.0
[M+K]+ 418.14150 192.9
[M+H-H2O]+ 362.17560 183.7
[M+HCOO]- 424.17654 204.1
[M+CH3COO]- 438.19219 198.6
[M+Na-2H]- 400.15301 189.5
[M]+ 379.17779 186.7
[M]- 379.17889 186.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.